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Ligand · 4MI

4MI · 4-methylsulfanylbenzoic acid

4MI, 4-methylsulfanylbenzoic acid (C8 H8 O2 S, 168.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
4MI
Formula
C8 H8 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4MI in 2 structures; the first of them:

  • 5KT1 · The crystal structure of 4-methylthiobenzoate-bound CYP199A4 · 4MI A501 · binds ARG92, SER95, ILE97, LEU98, VAL181, PHE182, PHE185, ARG243 and 4 more
  • 5KT1 · The crystal structure of 4-methylthiobenzoate-bound CYP199A4 · 4MI A501 · binds ARG92, SER95, ILE97, LEU98, PHE182, PHE185, SER244, SER247 and 2 more

Residues it binds most

PHE 2, SER 2, ARG 2, ALA 2, ILE 2, LEU 2, VAL 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CL · Chloride ion
  • GOL · Glycerol

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